3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine

C14H18N2O — CID 170879075

IUPAC3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
SMILESCOc1ccccc1-n1cccc1CCCN
InChIInChI=1S/C14H18N2O/c1-17-14-9-3-2-8-13(14)16-11-5-7-12(16)6-4-10-15/h2-3,5,7-9,11H,4,6,10,15H2,1H3
InChIKeyIEISVNAEMQQUQK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds5

About 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine

3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine (PubChem CID 170879075) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
PubChem CID170879075
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
SMILESCOc1ccccc1-n1cccc1CCCN
InChIInChI=1S/C14H18N2O/c1-17-14-9-3-2-8-13(14)16-11-5-7-12(16)6-4-10-15/h2-3,5,7-9,11H,4,6,10,15H2,1H3
InChIKeyIEISVNAEMQQUQK-UHFFFAOYSA-N
XLogP2.38
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
CID 82288882
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 5024229
3-[1-(2,4-difluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879072
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 5104530
2-(2-butylpyrrol-1-yl)aniline
CID 154707141
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879074
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine (CID 170879075) is 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine is COc1ccccc1-n1cccc1CCCN.
What is the InChIKey of 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine?
The InChIKey is IEISVNAEMQQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-9-3-2-8-13(14)16-11-5-7-12(16)6-4-10-15/h2-3,5,7-9,11H,4,6,10,15H2,1H3.
What are the key properties of 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine?
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine is sourced from PubChem (CID 170879075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).